> Dear all users, > > I am trying to run pp.x for 1 layer graphene. > here is the input: > ================================= > &inputPP > prefix= '1l-gr', > outdir='tmp', > plot_num=11, > filplot = 'gr.pot' > / > > &plot > iflag=3, > output_format=3, > / > ================================= > > According to the input_pp documentation, I don’t need to include any of nx, > ny, and nz variables in pp.in file.
Only if you use output_format=5 if I understand correctly what is written in the documentation. GS > Here is the problem: > *************** > Error in routine chdens (1) : > nx, ny, nz required > *************** > Any help will be appreciated. > > Mohammad Moaddeli > Shahid Chamran University of Ahvaz, Ahvaz, Iran > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum Dr. Gabriele Sclauzero Materials Theory (D_MATL) ETH Zurich, HIT G 43.2 Wolfgang-Pauli-Str. 27 8093 Zürich, Switzerland Phone +41 44 633 94 10 Fax +41 44 633 14 59 [email protected] www.theory.mat.ethz.ch/people/postdocs/gsclauze
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